#------------------------------------------------------------------------------
#$Date: 2016-03-26 01:16:34 +0100 (Sat 26 de Mar de 2016) $
#$Revision: 180131 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/29/7102924.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7102924
loop_
_publ_author_name
'Mankad, Neal P'
'Peters, Jonas C'
_publ_section_title
;
 Diazoalkanes react with a bis(phosphino)borate copper(i) source to
 generate [Ph2BP(tBu)2]Cu(eta1-N2CR2), [Ph2BP(tBu)2]Cu(CPh2), and
 [Ph2BP(tBu)2]Cu-N(CPh2)(NCPh2).
;
_journal_issue                   9
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              1061
_journal_page_last               1063
_journal_paper_doi               10.1039/b713687k
_journal_year                    2008
_chemical_formula_sum            'C60 H106 B Cu Li N O8 P2'
_chemical_formula_weight         1112.70
_chemical_name_common            ((BP2)Cu(NHMes))(Li(12-C-4)2)
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 92.5560(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.9146(9)
_cell_length_b                   21.3858(16)
_cell_length_c                   24.4619(18)
_cell_measurement_temperature    100(2)
_cell_volume                     6226.8(8)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.621
_diffrn_measured_fraction_theta_max 0.621
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0841
_diffrn_reflns_av_sigmaI/netI    0.0886
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            72625
_diffrn_reflns_theta_full        33.18
_diffrn_reflns_theta_max         33.18
_diffrn_reflns_theta_min         1.71
_exptl_absorpt_coefficient_mu    0.453
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.187
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2416
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.14
_refine_diff_density_max         1.674
_refine_diff_density_min         -1.054
_refine_diff_density_rms         0.083
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.725
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     684
_refine_ls_number_reflns         14800
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.725
_refine_ls_R_factor_all          0.1110
_refine_ls_R_factor_gt           0.0603
_refine_ls_shift/su_max          0.017
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0917
_refine_ls_wR_factor_ref         0.0962
_reflns_number_gt                8871
_reflns_number_total             14800
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b713687k.txt
_cod_data_source_block           npm21
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7102924
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu Cu 0.30379(3) 0.396884(15) 0.626762(14) 0.02089(10) Uani 1 1 d . . .
P1 P 0.45659(6) 0.44506(3) 0.66728(3) 0.01795(18) Uani 1 1 d . . .
P2 P 0.15406(6) 0.43834(3) 0.66782(3) 0.01920(18) Uani 1 1 d . . .
N N 0.32206(18) 0.31945(10) 0.58507(9) 0.0257(6) Uani 1 1 d . . .
H H 0.3267 0.2865 0.6066 0.031 Uiso 1 1 calc R . .
B B 0.3110(3) 0.51518(14) 0.75025(13) 0.0180(7) Uani 1 1 d . . .
C1 C 0.2654(2) 0.58752(12) 0.75390(11) 0.0193(7) Uani 1 1 d . . .
C2 C 0.1788(2) 0.60212(14) 0.78881(11) 0.0265(7) Uani 1 1 d . . .
H2 H 0.1477 0.5692 0.8093 0.032 Uiso 1 1 calc R . .
C3 C 0.1360(2) 0.66184(14) 0.79509(12) 0.0310(8) Uani 1 1 d . . .
H3 H 0.0768 0.6690 0.8191 0.037 Uiso 1 1 calc R . .
C4 C 0.1801(3) 0.71085(14) 0.76628(12) 0.0332(8) Uani 1 1 d . . .
H4 H 0.1513 0.7520 0.7700 0.040 Uiso 1 1 calc R . .
C5 C 0.2664(3) 0.69936(14) 0.73209(12) 0.0315(8) Uani 1 1 d . . .
H5 H 0.2980 0.7329 0.7125 0.038 Uiso 1 1 calc R . .
C6 C 0.3074(2) 0.63929(13) 0.72606(11) 0.0241(7) Uani 1 1 d . . .
H6 H 0.3667 0.6328 0.7020 0.029 Uiso 1 1 calc R . .
C7 C 0.3577(2) 0.50039(12) 0.81389(11) 0.0186(7) Uani 1 1 d . . .
C8 C 0.3172(2) 0.45477(13) 0.84807(11) 0.0224(7) Uani 1 1 d . . .
H8 H 0.2580 0.4286 0.8343 0.027 Uiso 1 1 calc R . .
C9 C 0.3588(2) 0.44538(14) 0.90142(12) 0.0287(7) Uani 1 1 d . . .
H9 H 0.3275 0.4137 0.9233 0.034 Uiso 1 1 calc R . .
C10 C 0.4454(3) 0.48198(15) 0.92245(12) 0.0313(8) Uani 1 1 d . . .
H10 H 0.4758 0.4751 0.9585 0.038 Uiso 1 1 calc R . .
C11 C 0.4872(2) 0.52860(15) 0.89044(13) 0.0307(8) Uani 1 1 d . . .
H11 H 0.5460 0.5547 0.9047 0.037 Uiso 1 1 calc R . .
C12 C 0.4441(2) 0.53761(13) 0.83770(12) 0.0252(7) Uani 1 1 d . . .
H12 H 0.4741 0.5704 0.8166 0.030 Uiso 1 1 calc R . .
C13 C 0.4163(2) 0.51296(12) 0.70720(11) 0.0191(7) Uani 1 1 d . . .
H13A H 0.4846 0.5255 0.7290 0.023 Uiso 1 1 calc R . .
H13B H 0.4010 0.5469 0.6804 0.023 Uiso 1 1 calc R . .
C14 C 0.2056(2) 0.46577(12) 0.73547(10) 0.0185(7) Uani 1 1 d . . .
H14A H 0.1393 0.4842 0.7524 0.022 Uiso 1 1 calc R . .
H14B H 0.2241 0.4274 0.7566 0.022 Uiso 1 1 calc R . .
C15 C 0.5358(2) 0.38970(12) 0.71532(11) 0.0217(7) Uani 1 1 d . . .
C16 C 0.4449(2) 0.35447(13) 0.74571(11) 0.0263(7) Uani 1 1 d . . .
H16A H 0.3945 0.3329 0.7191 0.040 Uiso 1 1 calc R . .
H16B H 0.4016 0.3843 0.7668 0.040 Uiso 1 1 calc R . .
H16C H 0.4806 0.3238 0.7706 0.040 Uiso 1 1 calc R . .
C17 C 0.6152(2) 0.42064(13) 0.75830(11) 0.0303(8) Uani 1 1 d . . .
H17A H 0.6523 0.3883 0.7810 0.046 Uiso 1 1 calc R . .
H17B H 0.5721 0.4483 0.7815 0.046 Uiso 1 1 calc R . .
H17C H 0.6720 0.4451 0.7399 0.046 Uiso 1 1 calc R . .
C18 C 0.5993(2) 0.34122(13) 0.68292(11) 0.0287(8) Uani 1 1 d . . .
H18A H 0.6648 0.3609 0.6672 0.043 Uiso 1 1 calc R . .
H18B H 0.5497 0.3245 0.6534 0.043 Uiso 1 1 calc R . .
H18C H 0.6243 0.3071 0.7073 0.043 Uiso 1 1 calc R . .
C19 C 0.5575(2) 0.47831(13) 0.61669(11) 0.0211(7) Uani 1 1 d . . .
C20 C 0.5808(2) 0.42907(13) 0.57228(11) 0.0274(7) Uani 1 1 d . . .
H20A H 0.5096 0.4108 0.5585 0.041 Uiso 1 1 calc R . .
H20B H 0.6292 0.3961 0.5881 0.041 Uiso 1 1 calc R . .
H20C H 0.6184 0.4492 0.5421 0.041 Uiso 1 1 calc R . .
C21 C 0.4971(2) 0.53347(12) 0.58754(11) 0.0250(7) Uani 1 1 d . . .
H21A H 0.5393 0.5462 0.5559 0.037 Uiso 1 1 calc R . .
H21B H 0.4925 0.5687 0.6130 0.037 Uiso 1 1 calc R . .
H21C H 0.4212 0.5206 0.5752 0.037 Uiso 1 1 calc R . .
C22 C 0.6695(2) 0.50209(13) 0.64220(11) 0.0288(8) Uani 1 1 d . . .
H22A H 0.7121 0.5230 0.6141 0.043 Uiso 1 1 calc R . .
H22B H 0.7131 0.4667 0.6573 0.043 Uiso 1 1 calc R . .
H22C H 0.6549 0.5318 0.6716 0.043 Uiso 1 1 calc R . .
C23 C 0.0502(2) 0.37498(13) 0.68625(11) 0.0235(7) Uani 1 1 d . . .
C24 C 0.0076(3) 0.34056(15) 0.63484(12) 0.0514(10) Uani 1 1 d . . .
H24A H 0.0715 0.3278 0.6136 0.077 Uiso 1 1 calc R . .
H24B H -0.0415 0.3683 0.6126 0.077 Uiso 1 1 calc R . .
H24C H -0.0347 0.3034 0.6452 0.077 Uiso 1 1 calc R . .
C25 C -0.0484(2) 0.39730(14) 0.71945(12) 0.0347(8) Uani 1 1 d . . .
H25A H -0.0918 0.3611 0.7310 0.052 Uiso 1 1 calc R . .
H25B H -0.0969 0.4249 0.6968 0.052 Uiso 1 1 calc R . .
H25C H -0.0195 0.4202 0.7518 0.052 Uiso 1 1 calc R . .
C26 C 0.1171(2) 0.32578(13) 0.71969(12) 0.0335(8) Uani 1 1 d . . .
H26A H 0.1397 0.3432 0.7556 0.050 Uiso 1 1 calc R . .
H26B H 0.1841 0.3140 0.7003 0.050 Uiso 1 1 calc R . .
H26C H 0.0701 0.2888 0.7246 0.050 Uiso 1 1 calc R . .
C27 C 0.0771(2) 0.50552(12) 0.63314(11) 0.0206(7) Uani 1 1 d . . .
C28 C 0.1702(2) 0.54688(13) 0.61080(11) 0.0277(7) Uani 1 1 d . . .
H28A H 0.1366 0.5844 0.5939 0.042 Uiso 1 1 calc R . .
H28B H 0.2105 0.5235 0.5834 0.042 Uiso 1 1 calc R . .
H28C H 0.2228 0.5591 0.6409 0.042 Uiso 1 1 calc R . .
C29 C 0.0018(2) 0.48412(14) 0.58454(11) 0.0323(8) Uani 1 1 d . . .
H29A H -0.0197 0.5203 0.5619 0.048 Uiso 1 1 calc R . .
H29B H -0.0658 0.4642 0.5979 0.048 Uiso 1 1 calc R . .
H29C H 0.0426 0.4540 0.5626 0.048 Uiso 1 1 calc R . .
C30 C 0.0078(2) 0.54508(13) 0.67098(11) 0.0295(8) Uani 1 1 d . . .
H30A H 0.0569 0.5623 0.7005 0.044 Uiso 1 1 calc R . .
H30B H -0.0502 0.5190 0.6867 0.044 Uiso 1 1 calc R . .
H30C H -0.0279 0.5794 0.6501 0.044 Uiso 1 1 calc R . .
C31 C 0.3294(2) 0.30375(13) 0.53198(12) 0.0238(7) Uani 1 1 d . . .
C32 C 0.3613(2) 0.24278(13) 0.51439(13) 0.0274(7) Uani 1 1 d . . .
C33 C 0.3602(2) 0.22889(14) 0.45859(14) 0.0345(8) Uani 1 1 d . . .
H33 H 0.3808 0.1879 0.4480 0.041 Uiso 1 1 calc R . .
C34 C 0.3309(2) 0.27146(15) 0.41777(13) 0.0345(8) Uani 1 1 d . . .
C35 C 0.3028(2) 0.33082(14) 0.43520(12) 0.0293(8) Uani 1 1 d . . .
H35 H 0.2839 0.3615 0.4083 0.035 Uiso 1 1 calc R . .
C36 C 0.3009(2) 0.34782(13) 0.48995(12) 0.0243(7) Uani 1 1 d . . .
C37 C 0.3940(2) 0.19454(13) 0.55601(13) 0.0383(9) Uani 1 1 d . . .
H37A H 0.4165 0.1562 0.5375 0.057 Uiso 1 1 calc R . .
H37B H 0.3300 0.1856 0.5786 0.057 Uiso 1 1 calc R . .
H37C H 0.4570 0.2101 0.5793 0.057 Uiso 1 1 calc R . .
C38 C 0.3315(3) 0.25378(16) 0.35812(13) 0.0540(11) Uani 1 1 d . . .
H38A H 0.3931 0.2755 0.3409 0.081 Uiso 1 1 calc R . .
H38B H 0.2599 0.2658 0.3399 0.081 Uiso 1 1 calc R . .
H38C H 0.3420 0.2085 0.3548 0.081 Uiso 1 1 calc R . .
C39 C 0.2621(2) 0.41164(12) 0.50588(11) 0.0275(7) Uani 1 1 d . . .
H39A H 0.2430 0.4360 0.4728 0.041 Uiso 1 1 calc R . .
H39B H 0.3223 0.4328 0.5273 0.041 Uiso 1 1 calc R . .
H39C H 0.1957 0.4078 0.5279 0.041 Uiso 1 1 calc R . .
Li Li 0.1337(3) 0.69137(18) 0.02843(16) 0.0070(9) Uani 1 1 d . . .
O1 O 0.19246(16) 0.65050(9) -0.05386(8) 0.0329(5) Uani 1 1 d . . .
O2 O 0.22282(15) 0.59719(9) 0.04708(8) 0.0334(5) Uani 1 1 d . . .
O3 O 0.28582(16) 0.71193(10) 0.09133(8) 0.0346(5) Uani 1 1 d . . .
O4 O 0.25072(16) 0.76631(9) -0.00966(8) 0.0339(5) Uani 1 1 d . . .
O5 O 0.04622(16) 0.66073(9) 0.10644(8) 0.0346(5) Uani 1 1 d . . .
O6 O -0.02271(16) 0.60965(10) 0.00555(9) 0.0374(5) Uani 1 1 d . . .
O7 O 0.00202(15) 0.73290(9) -0.02568(8) 0.0305(5) Uani 1 1 d . . .
O8 O 0.06948(16) 0.78450(9) 0.07574(8) 0.0323(5) Uani 1 1 d . . .
C40 C 0.2110(3) 0.58458(13) -0.04902(12) 0.0341(8) Uani 1 1 d . . .
H40A H 0.2516 0.5696 -0.0809 0.041 Uiso 1 1 calc R . .
H40B H 0.1379 0.5627 -0.0489 0.041 Uiso 1 1 calc R . .
C41 C 0.2787(3) 0.56960(14) 0.00295(12) 0.0343(8) Uani 1 1 d . . .
H41A H 0.2841 0.5238 0.0080 0.041 Uiso 1 1 calc R . .
H41B H 0.3557 0.5867 0.0012 0.041 Uiso 1 1 calc R . .
C42 C 0.2909(2) 0.60249(14) 0.09652(12) 0.0315(8) Uani 1 1 d . . .
H42A H 0.3402 0.5654 0.1006 0.038 Uiso 1 1 calc R . .
H42B H 0.2422 0.6039 0.1282 0.038 Uiso 1 1 calc R . .
C43 C 0.3616(2) 0.66072(14) 0.09563(12) 0.0314(8) Uani 1 1 d . . .
H43A H 0.4096 0.6640 0.1296 0.038 Uiso 1 1 calc R . .
H43B H 0.4106 0.6600 0.0640 0.038 Uiso 1 1 calc R . .
C44 C 0.3355(3) 0.77068(14) 0.07921(12) 0.0350(8) Uani 1 1 d . . .
H44A H 0.4079 0.7749 0.1004 0.042 Uiso 1 1 calc R . .
H44B H 0.2855 0.8048 0.0905 0.042 Uiso 1 1 calc R . .
C45 C 0.3554(2) 0.77689(15) 0.01926(13) 0.0394(9) Uani 1 1 d . . .
H45A H 0.3838 0.8192 0.0112 0.047 Uiso 1 1 calc R . .
H45B H 0.4116 0.7458 0.0082 0.047 Uiso 1 1 calc R . .
C46 C 0.2617(3) 0.75185(15) -0.06619(12) 0.0346(8) Uani 1 1 d . . .
H46A H 0.3239 0.7768 -0.0806 0.041 Uiso 1 1 calc R . .
H46B H 0.1916 0.7636 -0.0870 0.041 Uiso 1 1 calc R . .
C47 C 0.2847(2) 0.68342(15) -0.07463(12) 0.0351(8) Uani 1 1 d . . .
H47A H 0.2915 0.6743 -0.1140 0.042 Uiso 1 1 calc R . .
H47B H 0.3555 0.6711 -0.0548 0.042 Uiso 1 1 calc R . .
C48 C -0.0580(3) 0.62920(15) 0.10136(13) 0.0399(9) Uani 1 1 d . . .
H48A H -0.1193 0.6593 0.0925 0.048 Uiso 1 1 calc R . .
H48B H -0.0740 0.6079 0.1361 0.048 Uiso 1 1 calc R . .
C49 C -0.0496(3) 0.58187(14) 0.05588(13) 0.0402(9) Uani 1 1 d . . .
H49A H 0.0089 0.5507 0.0665 0.048 Uiso 1 1 calc R . .
H49B H -0.1221 0.5595 0.0510 0.048 Uiso 1 1 calc R . .
C50 C -0.1138(2) 0.63997(14) -0.02278(13) 0.0380(9) Uani 1 1 d . . .
H50A H -0.1645 0.6591 0.0035 0.046 Uiso 1 1 calc R . .
H50B H -0.1574 0.6096 -0.0457 0.046 Uiso 1 1 calc R . .
C51 C -0.0641(2) 0.68970(14) -0.05807(12) 0.0336(8) Uani 1 1 d . . .
H51A H -0.0164 0.6698 -0.0853 0.040 Uiso 1 1 calc R . .
H51B H -0.1253 0.7125 -0.0782 0.040 Uiso 1 1 calc R . .
C52 C -0.0650(2) 0.77930(13) -0.00102(12) 0.0296(8) Uani 1 1 d . . .
H52A H -0.1217 0.7593 0.0216 0.036 Uiso 1 1 calc R . .
H52B H -0.1047 0.8048 -0.0296 0.036 Uiso 1 1 calc R . .
C53 C 0.0115(2) 0.81958(13) 0.03381(12) 0.0293(8) Uani 1 1 d . . .
H53A H 0.0668 0.8398 0.0106 0.035 Uiso 1 1 calc R . .
H53B H -0.0330 0.8529 0.0507 0.035 Uiso 1 1 calc R . .
C54 C 0.0037(3) 0.77017(14) 0.12113(12) 0.0351(8) Uani 1 1 d . . .
H54A H -0.0762 0.7651 0.1090 0.042 Uiso 1 1 calc R . .
H54B H 0.0093 0.8042 0.1485 0.042 Uiso 1 1 calc R . .
C55 C 0.0486(3) 0.71054(14) 0.14540(12) 0.0342(8) Uani 1 1 d . . .
H55A H 0.1269 0.7172 0.1594 0.041 Uiso 1 1 calc R . .
H55B H 0.0033 0.6986 0.1767 0.041 Uiso 1 1 calc R . .
C56 C 0.9019(5) 0.5288(3) 0.8486(2) 0.147(2) Uani 1 1 d . . .
H56A H 0.9541 0.5574 0.8681 0.220 Uiso 1 1 calc R . .
H56B H 0.9433 0.4924 0.8357 0.220 Uiso 1 1 calc R . .
H56C H 0.8446 0.5148 0.8735 0.220 Uiso 1 1 calc R . .
C57 C 0.8477(4) 0.5611(2) 0.8019(2) 0.0956(16) Uani 1 1 d . . .
H57A H 0.8076 0.5309 0.7773 0.115 Uiso 1 1 calc R . .
H57B H 0.9043 0.5834 0.7807 0.115 Uiso 1 1 calc R . .
C58 C 0.7672(4) 0.6062(3) 0.8250(3) 0.160(3) Uani 1 1 d . . .
H58A H 0.7072 0.5841 0.8440 0.192 Uiso 1 1 calc R . .
H58B H 0.8061 0.6354 0.8509 0.192 Uiso 1 1 calc R . .
C59 C 0.7255(7) 0.6363(4) 0.7810(5) 0.245(6) Uani 1 1 d . . .
H59A H 0.7010 0.6042 0.7539 0.294 Uiso 1 1 calc R . .
H59B H 0.7885 0.6593 0.7651 0.294 Uiso 1 1 calc R . .
C60 C 0.6351(6) 0.6795(3) 0.7849(2) 0.191(4) Uani 1 1 d . . .
H60A H 0.5797 0.6626 0.8094 0.287 Uiso 1 1 calc R . .
H60B H 0.5994 0.6863 0.7485 0.287 Uiso 1 1 calc R . .
H60C H 0.6640 0.7193 0.7995 0.287 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Li Li -0.0003 0.0001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N Cu P2 131.93(7) . . ?
N Cu P1 120.16(7) . . ?
P2 Cu P1 105.05(3) . . ?
C13 P1 C15 107.54(12) . . ?
C13 P1 C19 103.87(12) . . ?
C15 P1 C19 109.04(12) . . ?
C13 P1 Cu 111.58(9) . . ?
C15 P1 Cu 110.73(9) . . ?
C19 P1 Cu 113.70(9) . . ?
C14 P2 C27 107.36(12) . . ?
C14 P2 C23 102.06(12) . . ?
C27 P2 C23 109.94(12) . . ?
C14 P2 Cu 106.65(9) . . ?
C27 P2 Cu 118.36(9) . . ?
C23 P2 Cu 111.08(9) . . ?
C31 N Cu 136.4(2) . . ?
C31 N H 111.8 . . ?
Cu N H 111.8 . . ?
C1 B C7 103.1(2) . . ?
C1 B C14 111.1(2) . . ?
C7 B C14 107.4(2) . . ?
C1 B C13 108.7(2) . . ?
C7 B C13 110.8(2) . . ?
C14 B C13 115.1(2) . . ?
C2 C1 C6 114.0(3) . . ?
C2 C1 B 119.8(2) . . ?
C6 C1 B 126.2(2) . . ?
C3 C2 C1 123.8(3) . . ?
C3 C2 H2 118.1 . . ?
C1 C2 H2 118.1 . . ?
C4 C3 C2 119.5(3) . . ?
C4 C3 H3 120.2 . . ?
C2 C3 H3 120.2 . . ?
C5 C4 C3 119.1(3) . . ?
C5 C4 H4 120.5 . . ?
C3 C4 H4 120.5 . . ?
C4 C5 C6 120.5(3) . . ?
C4 C5 H5 119.8 . . ?
C6 C5 H5 119.8 . . ?
C5 C6 C1 123.0(3) . . ?
C5 C6 H6 118.5 . . ?
C1 C6 H6 118.5 . . ?
C8 C7 C12 114.6(3) . . ?
C8 C7 B 126.1(2) . . ?
C12 C7 B 119.3(2) . . ?
C7 C8 C9 123.3(3) . . ?
C7 C8 H8 118.3 . . ?
C9 C8 H8 118.3 . . ?
C10 C9 C8 119.9(3) . . ?
C10 C9 H9 120.0 . . ?
C8 C9 H9 120.0 . . ?
C11 C10 C9 119.0(3) . . ?
C11 C10 H10 120.5 . . ?
C9 C10 H10 120.5 . . ?
C10 C11 C12 120.3(3) . . ?
C10 C11 H11 119.9 . . ?
C12 C11 H11 119.9 . . ?
C11 C12 C7 122.9(3) . . ?
C11 C12 H12 118.6 . . ?
C7 C12 H12 118.6 . . ?
B C13 P1 125.54(18) . . ?
B C13 H13A 105.9 . . ?
P1 C13 H13A 105.9 . . ?
B C13 H13B 105.9 . . ?
P1 C13 H13B 105.9 . . ?
H13A C13 H13B 106.3 . . ?
B C14 P2 128.01(19) . . ?
B C14 H14A 105.3 . . ?
P2 C14 H14A 105.3 . . ?
B C14 H14B 105.3 . . ?
P2 C14 H14B 105.3 . . ?
H14A C14 H14B 106.0 . . ?
C17 C15 C18 110.1(2) . . ?
C17 C15 C16 107.8(2) . . ?
C18 C15 C16 107.1(2) . . ?
C17 C15 P1 115.59(19) . . ?
C18 C15 P1 110.35(18) . . ?
C16 C15 P1 105.35(17) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C15 C18 H18A 109.5 . . ?
C15 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C15 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C22 C19 C21 108.3(2) . . ?
C22 C19 C20 109.3(2) . . ?
C21 C19 C20 106.9(2) . . ?
C22 C19 P1 115.02(18) . . ?
C21 C19 P1 106.96(18) . . ?
C20 C19 P1 109.94(18) . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C19 C22 H22A 109.5 . . ?
C19 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C19 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C24 C23 C25 110.6(2) . . ?
C24 C23 C26 104.8(2) . . ?
C25 C23 C26 108.8(2) . . ?
C24 C23 P2 110.16(19) . . ?
C25 C23 P2 115.17(19) . . ?
C26 C23 P2 106.67(18) . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C23 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C23 C26 H26A 109.5 . . ?
C23 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C23 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C30 C27 C29 108.9(2) . . ?
C30 C27 C28 108.4(2) . . ?
C29 C27 C28 107.7(2) . . ?
C30 C27 P2 114.54(19) . . ?
C29 C27 P2 112.26(19) . . ?
C28 C27 P2 104.76(17) . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C27 C30 H30A 109.5 . . ?
C27 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C27 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
N C31 C36 120.5(3) . . ?
N C31 C32 123.1(3) . . ?
C36 C31 C32 116.4(3) . . ?
C33 C32 C31 119.8(3) . . ?
C33 C32 C37 120.8(3) . . ?
C31 C32 C37 119.4(3) . . ?
C34 C33 C32 123.8(3) . . ?
C34 C33 H33 118.1 . . ?
C32 C33 H33 118.1 . . ?
C35 C34 C33 115.9(3) . . ?
C35 C34 C38 122.7(3) . . ?
C33 C34 C38 121.4(3) . . ?
C34 C35 C36 123.5(3) . . ?
C34 C35 H35 118.3 . . ?
C36 C35 H35 118.3 . . ?
C35 C36 C31 120.6(3) . . ?
C35 C36 C39 120.5(3) . . ?
C31 C36 C39 118.8(2) . . ?
C32 C37 H37A 109.5 . . ?
C32 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C32 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C34 C38 H38A 109.5 . . ?
C34 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C34 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C36 C39 H39A 109.5 . . ?
C36 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C36 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
O7 Li O2 141.3(2) . . ?
O7 Li O5 106.04(16) . . ?
O2 Li O5 79.05(14) . . ?
O7 Li O1 82.25(14) . . ?
O2 Li O1 71.98(13) . . ?
O5 Li O1 140.46(19) . . ?
O7 Li O4 84.58(15) . . ?
O2 Li O4 113.44(17) . . ?
O5 Li O4 145.14(19) . . ?
O1 Li O4 72.92(13) . . ?
O7 Li O3 145.4(2) . . ?
O2 Li O3 72.65(13) . . ?
O5 Li O3 82.89(14) . . ?
O1 Li O3 112.36(16) . . ?
O4 Li O3 71.31(13) . . ?
O7 Li O8 74.06(13) . . ?
O2 Li O8 140.09(19) . . ?
O5 Li O8 71.19(13) . . ?
O1 Li O8 145.82(19) . . ?
O4 Li O8 80.53(14) . . ?
O3 Li O8 77.73(13) . . ?
O7 Li O6 69.86(13) . . ?
O2 Li O6 77.01(13) . . ?
O5 Li O6 68.98(12) . . ?
O1 Li O6 78.57(13) . . ?
O4 Li O6 143.90(18) . . ?
O3 Li O6 141.87(18) . . ?
O8 Li O6 114.44(16) . . ?
C47 O1 C40 113.5(2) . . ?
C47 O1 Li 113.00(19) . . ?
C40 O1 Li 110.45(19) . . ?
C41 O2 C42 114.1(2) . . ?
C41 O2 Li 115.99(19) . . ?
C42 O2 Li 109.63(19) . . ?
C43 O3 C44 115.2(2) . . ?
C43 O3 Li 111.78(19) . . ?
C44 O3 Li 109.99(19) . . ?
C45 O4 C46 113.5(2) . . ?
C45 O4 Li 115.73(19) . . ?
C46 O4 Li 108.57(19) . . ?
C48 O5 C55 113.9(2) . . ?
C48 O5 Li 119.3(2) . . ?
C55 O5 Li 110.08(19) . . ?
C49 O6 C50 114.8(2) . . ?
C49 O6 Li 106.42(19) . . ?
C50 O6 Li 108.88(18) . . ?
C52 O7 C51 112.3(2) . . ?
C52 O7 Li 115.19(19) . . ?
C51 O7 Li 115.70(19) . . ?
C54 O8 C53 114.2(2) . . ?
C54 O8 Li 112.94(19) . . ?
C53 O8 Li 103.90(18) . . ?
O1 C40 C41 110.7(2) . . ?
O1 C40 H40A 109.5 . . ?
C41 C40 H40A 109.5 . . ?
O1 C40 H40B 109.5 . . ?
C41 C40 H40B 109.5 . . ?
H40A C40 H40B 108.1 . . ?
O2 C41 C40 107.5(2) . . ?
O2 C41 H41A 110.2 . . ?
C40 C41 H41A 110.2 . . ?
O2 C41 H41B 110.2 . . ?
C40 C41 H41B 110.2 . . ?
H41A C41 H41B 108.5 . . ?
O2 C42 C43 110.5(2) . . ?
O2 C42 H42A 109.5 . . ?
C43 C42 H42A 109.5 . . ?
O2 C42 H42B 109.5 . . ?
C43 C42 H42B 109.5 . . ?
H42A C42 H42B 108.1 . . ?
O3 C43 C42 106.5(2) . . ?
O3 C43 H43A 110.4 . . ?
C42 C43 H43A 110.4 . . ?
O3 C43 H43B 110.4 . . ?
C42 C43 H43B 110.4 . . ?
H43A C43 H43B 108.6 . . ?
O3 C44 C45 111.5(2) . . ?
O3 C44 H44A 109.3 . . ?
C45 C44 H44A 109.3 . . ?
O3 C44 H44B 109.3 . . ?
C45 C44 H44B 109.3 . . ?
H44A C44 H44B 108.0 . . ?
O4 C45 C44 107.4(2) . . ?
O4 C45 H45A 110.2 . . ?
C44 C45 H45A 110.2 . . ?
O4 C45 H45B 110.2 . . ?
C44 C45 H45B 110.2 . . ?
H45A C45 H45B 108.5 . . ?
O4 C46 C47 111.6(2) . . ?
O4 C46 H46A 109.3 . . ?
C47 C46 H46A 109.3 . . ?
O4 C46 H46B 109.3 . . ?
C47 C46 H46B 109.3 . . ?
H46A C46 H46B 108.0 . . ?
O1 C47 C46 106.5(2) . . ?
O1 C47 H47A 110.4 . . ?
C46 C47 H47A 110.4 . . ?
O1 C47 H47B 110.4 . . ?
C46 C47 H47B 110.4 . . ?
H47A C47 H47B 108.6 . . ?
O5 C48 C49 107.3(2) . . ?
O5 C48 H48A 110.3 . . ?
C49 C48 H48A 110.3 . . ?
O5 C48 H48B 110.3 . . ?
C49 C48 H48B 110.3 . . ?
H48A C48 H48B 108.5 . . ?
O6 C49 C48 112.6(2) . . ?
O6 C49 H49A 109.1 . . ?
C48 C49 H49A 109.1 . . ?
O6 C49 H49B 109.1 . . ?
C48 C49 H49B 109.1 . . ?
H49A C49 H49B 107.8 . . ?
O6 C50 C51 106.9(2) . . ?
O6 C50 H50A 110.3 . . ?
C51 C50 H50A 110.3 . . ?
O6 C50 H50B 110.3 . . ?
C51 C50 H50B 110.3 . . ?
H50A C50 H50B 108.6 . . ?
O7 C51 C50 111.0(2) . . ?
O7 C51 H51A 109.4 . . ?
C50 C51 H51A 109.4 . . ?
O7 C51 H51B 109.4 . . ?
C50 C51 H51B 109.4 . . ?
H51A C51 H51B 108.0 . . ?
O7 C52 C53 107.7(2) . . ?
O7 C52 H52A 110.2 . . ?
C53 C52 H52A 110.2 . . ?
O7 C52 H52B 110.2 . . ?
C53 C52 H52B 110.2 . . ?
H52A C52 H52B 108.5 . . ?
O8 C53 C52 111.8(2) . . ?
O8 C53 H53A 109.3 . . ?
C52 C53 H53A 109.3 . . ?
O8 C53 H53B 109.3 . . ?
C52 C53 H53B 109.3 . . ?
H53A C53 H53B 107.9 . . ?
O8 C54 C55 107.1(2) . . ?
O8 C54 H54A 110.3 . . ?
C55 C54 H54A 110.3 . . ?
O8 C54 H54B 110.3 . . ?
C55 C54 H54B 110.3 . . ?
H54A C54 H54B 108.6 . . ?
O5 C55 C54 112.0(2) . . ?
O5 C55 H55A 109.2 . . ?
C54 C55 H55A 109.2 . . ?
O5 C55 H55B 109.2 . . ?
C54 C55 H55B 109.2 . . ?
H55A C55 H55B 107.9 . . ?
C57 C56 H56A 109.5 . . ?
C57 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C57 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C56 C57 C58 106.2(5) . . ?
C56 C57 H57A 110.5 . . ?
C58 C57 H57A 110.5 . . ?
C56 C57 H57B 110.5 . . ?
C58 C57 H57B 110.5 . . ?
H57A C57 H57B 108.7 . . ?
C59 C58 C57 103.3(7) . . ?
C59 C58 H58A 111.1 . . ?
C57 C58 H58A 111.1 . . ?
C59 C58 H58B 111.1 . . ?
C57 C58 H58B 111.1 . . ?
H58A C58 H58B 109.1 . . ?
C58 C59 C60 121.0(9) . . ?
C58 C59 H59A 107.1 . . ?
C60 C59 H59A 107.1 . . ?
C58 C59 H59B 107.1 . . ?
C60 C59 H59B 107.1 . . ?
H59A C59 H59B 106.8 . . ?
C59 C60 H60A 109.5 . . ?
C59 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
C59 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cu N 1.962(2) . ?
Cu P2 2.2665(8) . ?
Cu P1 2.2798(8) . ?
P1 C13 1.826(3) . ?
P1 C15 1.890(3) . ?
P1 C19 1.901(3) . ?
P2 C14 1.835(3) . ?
P2 C27 1.885(3) . ?
P2 C23 1.903(3) . ?
N C31 1.348(3) . ?
N H 0.8800 . ?
B C1 1.644(4) . ?
B C7 1.660(4) . ?
B C14 1.669(4) . ?
B C13 1.674(4) . ?
C1 C2 1.403(3) . ?
C1 C6 1.404(4) . ?
C2 C3 1.386(4) . ?
C2 H2 0.9500 . ?
C3 C4 1.380(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.376(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.385(4) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C8 1.385(3) . ?
C7 C12 1.407(3) . ?
C8 C9 1.390(4) . ?
C8 H8 0.9500 . ?
C9 C10 1.376(4) . ?
C9 H9 0.9500 . ?
C10 C11 1.375(4) . ?
C10 H10 0.9500 . ?
C11 C12 1.381(4) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C17 1.533(4) . ?
C15 C18 1.526(3) . ?
C15 C16 1.538(3) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C22 1.534(3) . ?
C19 C21 1.540(3) . ?
C19 C20 1.547(4) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 C24 1.524(4) . ?
C23 C25 1.533(4) . ?
C23 C26 1.534(4) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 C30 1.525(4) . ?
C27 C29 1.527(3) . ?
C27 C28 1.537(4) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C36 1.424(4) . ?
C31 C32 1.430(4) . ?
C32 C33 1.396(4) . ?
C32 C37 1.489(4) . ?
C33 C34 1.385(4) . ?
C33 H33 0.9500 . ?
C34 C35 1.385(4) . ?
C34 C38 1.508(4) . ?
C35 C36 1.389(4) . ?
C35 H35 0.9500 . ?
C36 C39 1.498(4) . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
Li O7 2.195(4) . ?
Li O2 2.313(4) . ?
Li O5 2.310(4) . ?
Li O1 2.331(4) . ?
Li O4 2.344(4) . ?
Li O3 2.366(4) . ?
Li O8 2.443(4) . ?
Li O6 2.598(4) . ?
O1 C47 1.418(3) . ?
O1 C40 1.431(3) . ?
O2 C41 1.422(3) . ?
O2 C42 1.430(3) . ?
O3 C43 1.421(3) . ?
O3 C44 1.426(3) . ?
O4 C45 1.424(3) . ?
O4 C46 1.429(3) . ?
O5 C48 1.414(3) . ?
O5 C55 1.429(3) . ?
O6 C49 1.416(3) . ?
O6 C50 1.418(3) . ?
O7 C52 1.424(3) . ?
O7 C51 1.430(3) . ?
O8 C54 1.421(3) . ?
O8 C53 1.425(3) . ?
C40 C41 1.509(4) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 C43 1.505(4) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 C45 1.502(4) . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C46 C47 1.505(4) . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
C48 C49 1.511(4) . ?
C48 H48A 0.9900 . ?
C48 H48B 0.9900 . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C50 C51 1.508(4) . ?
C50 H50A 0.9900 . ?
C50 H50B 0.9900 . ?
C51 H51A 0.9900 . ?
C51 H51B 0.9900 . ?
C52 C53 1.493(4) . ?
C52 H52A 0.9900 . ?
C52 H52B 0.9900 . ?
C53 H53A 0.9900 . ?
C53 H53B 0.9900 . ?
C54 C55 1.496(4) . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
C56 C57 1.462(6) . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 C58 1.490(7) . ?
C57 H57A 0.9900 . ?
C57 H57B 0.9900 . ?
C58 C59 1.332(11) . ?
C58 H58A 0.9900 . ?
C58 H58B 0.9900 . ?
C59 C60 1.425(9) . ?
C59 H59A 0.9900 . ?
C59 H59B 0.9900 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
